#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a91 h GLU 2 N 0.00 0.13 0.01 0.03 5.08 -2.05 -1.18 114.58 116.59 1a91 h GLU 2 Ca 0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1a91 h GLU 2 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1a91 h GLU 2 CO 0.00 0.46 -0.00 -0.97 -1.00 0.00 0.00 179.01 177.49 1a91 h ASN 3 N 0.11 -0.01 -0.02 1.42 -1.24 -2.01 -3.21 115.58 110.62 1a91 h ASN 3 Ca 0.01 -0.78 0.00 0.00 0.71 0.00 0.00 56.30 56.25 1a91 h ASN 3 Cb 0.66 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.71 1a91 h ASN 3 CO 0.05 0.79 0.17 -0.07 -1.29 0.00 0.00 177.43 177.08 1a91 h LEU 4 N -0.83 0.00 0.03 0.34 -0.00 -1.97 -1.94 115.31 110.94 1a91 h LEU 4 Ca -0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.61 1a91 h LEU 4 Cb 0.79 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.47 1a91 h LEU 4 CO 0.00 0.00 -1.06 -1.13 -0.00 0.00 0.00 178.44 176.26 1a91 h ASN 5 N 0.00 0.87 0.88 -0.43 -0.73 -1.21 -0.65 115.58 114.30 1a91 h ASN 5 Ca 0.01 -0.76 -0.08 0.00 1.87 0.00 0.00 56.30 57.33 1a91 h ASN 5 Cb 0.35 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 1a91 h ASN 5 CO -0.00 1.53 -0.39 0.24 -0.37 0.00 0.00 177.43 178.44 1a91 h MET 6 N 0.31 0.00 -0.13 6.67 2.86 -1.41 -1.64 114.93 121.60 1a91 h MET 6 Ca -0.14 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.34 1a91 h MET 6 Cb 1.72 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.37 1a91 h MET 6 CO 0.21 0.39 -0.61 0.22 1.06 0.00 0.00 176.91 178.18 1a91 h ASP 7 N 0.00 0.49 -0.06 1.22 3.58 -1.30 -2.85 116.42 117.50 1a91 h ASP 7 Ca -0.00 -0.28 -0.04 0.00 0.42 0.00 0.00 57.03 57.13 1a91 h ASP 7 Cb 0.94 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 1a91 h ASP 7 CO 0.05 0.98 -0.10 0.25 -2.88 0.00 0.00 179.24 177.54 1a91 h LEU 8 N 0.32 0.19 -0.97 2.28 7.12 -0.77 -2.42 115.31 121.06 1a91 h LEU 8 Ca -0.01 -0.54 -0.06 0.00 0.13 0.00 0.00 57.88 57.40 1a91 h LEU 8 Cb 1.15 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.20 1a91 h LEU 8 CO 0.11 0.70 0.10 -0.07 -0.13 0.00 0.00 178.44 179.15 1a91 h LEU 9 N -0.31 0.80 0.03 2.25 3.38 -1.38 -0.07 115.31 120.02 1a91 h LEU 9 Ca 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1a91 h LEU 9 Cb 0.66 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1a91 h LEU 9 CO 0.02 0.80 -0.02 0.22 0.09 0.00 0.00 178.44 179.56 1a91 h TYR 10 N 0.81 -0.04 0.00 1.13 5.03 -1.55 -3.16 116.97 119.19 1a91 h TYR 10 Ca 0.17 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1a91 h TYR 10 Cb 0.34 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.63 1a91 h TYR 10 CO 0.02 0.42 0.00 -1.33 -1.32 0.00 0.00 178.16 175.95 1a91 n MET 11 N -4.89 0.21 0.07 1.82 2.81 -0.91 -2.54 117.12 113.69 1a91 n MET 11 Ca -0.08 0.31 -0.13 0.00 -1.81 0.00 0.00 57.70 55.98 1a91 n MET 11 Cb 0.24 -1.82 -0.08 0.00 -0.71 0.00 0.00 33.22 30.86 1a91 n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a91 h ALA 12 N 2.42 -0.17 -0.05 3.04 0.00 -0.99 -2.27 119.26 121.24 1a91 h ALA 12 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1a91 h ALA 12 Cb 0.54 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1a91 h ALA 12 CO 0.00 -0.46 0.06 0.00 0.00 0.00 0.00 179.25 178.85 1a91 h ALA 13 N 0.37 1.66 0.00 0.00 0.00 -1.49 -0.17 119.26 119.64 1a91 h ALA 13 Ca -0.02 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1a91 h ALA 13 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1a91 h ALA 13 CO 0.03 -0.08 -1.06 0.00 0.00 0.00 0.00 179.25 178.14 1a91 h ALA 14 N 1.94 0.46 0.25 0.00 0.00 -1.20 -1.34 119.26 119.36 1a91 h ALA 14 Ca 0.03 -0.94 -0.33 0.00 0.00 0.00 0.00 54.91 53.67 1a91 h ALA 14 Cb 0.14 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 17.92 1a91 h ALA 14 CO -0.00 1.22 -1.45 0.28 0.00 0.00 0.00 179.25 179.30 1a91 h VAL 15 N 0.00 1.29 0.14 0.00 2.07 -1.19 -2.96 116.25 115.61 1a91 h VAL 15 Ca -0.05 -2.68 -0.28 0.00 0.82 0.00 0.00 66.70 64.51 1a91 h VAL 15 Cb 1.76 3.04 0.01 0.00 -1.52 0.00 0.00 31.29 34.57 1a91 h VAL 15 CO 0.11 0.80 -1.37 -0.03 0.02 0.00 0.00 177.57 177.11 1a91 h MET 16 N 0.14 0.30 0.00 1.57 -1.53 -1.05 -2.11 114.93 112.24 1a91 h MET 16 Ca -0.25 -0.51 -0.18 0.00 -3.44 0.00 0.00 59.70 55.32 1a91 h MET 16 Cb 2.15 0.19 -0.03 0.00 -0.55 0.00 0.00 31.60 33.36 1a91 h MET 16 CO 0.27 1.24 -0.87 0.52 0.14 0.00 0.00 176.91 178.21 1a91 h MET 17 N -0.22 0.00 -0.44 0.39 2.07 -1.44 -2.20 114.93 113.08 1a91 h MET 17 Ca -0.28 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.25 1a91 h MET 17 Cb 1.82 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.54 1a91 h MET 17 CO 0.11 0.85 -0.09 0.78 1.07 0.00 0.00 176.91 179.63 1a91 h GLY 18 N 3.15 0.92 0.95 8.32 0.00 -1.62 -2.36 103.07 112.43 1a91 h GLY 18 Ca -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.53 1a91 h GLY 18 CO 0.11 0.69 0.12 -2.00 0.00 0.00 0.00 176.54 175.46 1a91 h LEU 19 N 0.68 0.64 0.08 3.11 6.46 -1.37 -3.11 115.31 121.81 1a91 h LEU 19 Ca 0.11 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1a91 h LEU 19 Cb 0.63 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1a91 h LEU 19 CO 0.04 0.69 -0.04 0.00 -0.62 0.00 0.00 178.44 178.51 1a91 h ALA 20 N 0.97 -0.11 -0.32 1.25 0.00 -1.27 -0.72 119.26 119.06 1a91 h ALA 20 Ca 0.14 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1a91 h ALA 20 Cb 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1a91 h ALA 20 CO -0.00 -0.16 0.26 0.00 0.00 0.00 0.00 179.25 179.34 1a91 h ALA 21 N -0.34 2.18 0.04 0.00 0.00 -1.60 -0.31 119.26 119.24 1a91 h ALA 21 Ca -0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1a91 h ALA 21 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1a91 h ALA 21 CO 0.02 -0.42 -1.27 0.82 0.00 0.00 0.00 179.25 178.40 1a91 h ILE 22 N 0.00 1.42 -0.03 0.00 5.03 -1.55 -1.78 117.51 120.60 1a91 h ILE 22 Ca 0.15 -3.12 -0.09 0.00 -0.12 0.00 0.00 64.86 61.68 1a91 h ILE 22 Cb 0.66 2.77 -0.01 0.00 -3.03 0.00 0.00 36.82 37.21 1a91 h ILE 22 CO -0.00 0.85 -0.38 1.23 -0.68 0.00 0.00 178.15 179.16 1a91 h GLY 23 N 2.62 0.07 0.00 5.37 0.00 -0.21 -1.64 103.07 109.28 1a91 h GLY 23 Ca -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1a91 h GLY 23 CO 0.14 0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.73 1a91 n ALA 24 N -2.47 -0.27 -0.15 3.60 0.00 -0.21 -3.32 120.51 117.69 1a91 n ALA 24 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1a91 n ALA 24 Cb 0.43 0.04 0.39 0.00 0.00 0.00 0.00 19.45 20.31 1a91 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a91 h ALA 25 N -1.94 1.79 -0.14 0.00 0.00 -0.98 -0.57 119.26 117.42 1a91 h ALA 25 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1a91 h ALA 25 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1a91 h ALA 25 CO 0.00 0.09 -0.24 0.82 0.00 0.00 0.00 179.25 179.92 1a91 h ILE 26 N 0.65 1.36 -0.00 0.00 1.08 -1.49 -2.15 117.51 116.97 1a91 h ILE 26 Ca 0.30 -1.49 -0.24 0.00 -0.39 0.00 0.00 64.86 63.05 1a91 h ILE 26 Cb 0.33 1.99 0.02 0.00 -3.07 0.00 0.00 36.82 36.09 1a91 h ILE 26 CO -0.10 0.44 -0.92 1.23 -0.69 0.00 0.00 178.15 178.12 1a91 h GLY 27 N 0.02 0.70 1.59 5.37 0.00 -1.13 0.10 103.07 109.72 1a91 h GLY 27 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 47.33 46.12 1a91 h GLY 27 CO 0.05 1.08 0.00 0.29 0.00 0.00 0.00 176.54 177.96 1a91 n ILE 28 N -3.96 0.23 -0.06 2.60 -5.35 -0.72 0.03 119.36 112.14 1a91 n ILE 28 Ca -0.11 0.06 -0.14 0.00 -0.27 0.00 0.00 62.75 62.29 1a91 n ILE 28 Cb 0.82 -0.66 -0.12 0.00 -1.74 0.00 0.00 39.64 37.94 1a91 n ILE 28 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1a91 h GLY 29 N 4.01 -0.00 0.00 3.28 0.00 -0.97 -2.83 103.07 106.55 1a91 h GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a91 h GLY 29 CO 0.00 -0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.93 1a91 n ILE 30 N -4.66 0.00 0.16 2.60 5.41 0.33 -1.77 119.36 121.43 1a91 n ILE 30 Ca -0.10 1.13 0.03 0.00 1.00 0.00 0.00 62.75 64.81 1a91 n ILE 30 Cb 0.43 -2.08 0.40 0.00 -0.71 0.00 0.00 39.64 37.68 1a91 n ILE 30 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1a91 h LEU 31 N 0.00 0.10 0.00 1.39 4.07 -0.64 -0.94 115.31 119.29 1a91 h LEU 31 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1a91 h LEU 31 Cb 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1a91 h LEU 31 CO 0.00 0.35 -0.97 0.61 -1.08 0.00 0.00 178.44 177.35 1a91 n GLY 32 N -0.73 -1.44 0.12 0.83 0.00 -1.07 -2.81 105.19 100.08 1a91 n GLY 32 Ca -0.02 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 1a91 n GLY 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a91 h GLY 33 N 4.09 0.26 2.00 -0.02 0.00 -0.99 -3.16 103.07 105.24 1a91 h GLY 33 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1a91 h GLY 33 CO 0.00 0.57 -0.04 0.50 0.00 0.00 0.00 176.54 177.57 1a91 h LYS 34 N 0.06 0.00 -0.62 4.80 1.57 -1.34 -2.79 116.57 118.25 1a91 h LYS 34 Ca -0.31 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1a91 h LYS 34 Cb 2.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.31 1a91 h LYS 34 CO 0.13 0.04 0.24 0.35 -0.57 0.00 0.00 179.45 179.64 1a91 h PHE 35 N 0.00 0.96 0.00 -1.35 3.57 -1.61 -3.03 116.94 115.48 1a91 h PHE 35 Ca -0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1a91 h PHE 35 Cb 1.03 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1a91 h PHE 35 CO 0.00 0.77 0.00 -0.11 -2.23 0.00 0.00 178.31 176.74 1a91 n LEU 36 N -4.42 0.13 0.00 0.59 0.00 -1.06 -1.93 117.00 110.31 1a91 n LEU 36 Ca 0.04 0.52 -0.11 0.00 0.00 0.00 0.00 56.01 56.46 1a91 n LEU 36 Cb 0.18 -0.49 0.03 0.00 0.00 0.00 0.00 43.42 43.14 1a91 n LEU 36 CO 0.39 -0.13 0.43 -0.33 0.00 0.00 0.00 177.39 177.75 1a91 h GLU 37 N 0.00 0.59 -0.04 1.96 4.39 -1.44 -1.65 114.58 118.39 1a91 h GLU 37 Ca 0.00 -0.40 -0.18 0.00 0.34 0.00 0.00 59.36 59.12 1a91 h GLU 37 Cb 0.44 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1a91 h GLU 37 CO 0.00 1.02 -0.77 0.78 -1.16 0.00 0.00 179.01 178.88 1a91 h GLY 38 N 1.01 0.32 1.37 -3.84 0.00 -1.52 -3.33 103.07 97.08 1a91 h GLY 38 Ca -0.00 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.67 1a91 h GLY 38 CO 0.12 0.43 -0.55 0.00 0.00 0.00 0.00 176.54 176.53 1a91 h ALA 39 N 1.00 0.62 -0.23 3.60 0.00 -1.26 -3.22 119.26 119.77 1a91 h ALA 39 Ca -0.03 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.19 1a91 h ALA 39 Cb 1.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1a91 h ALA 39 CO 0.12 0.69 -0.52 0.00 0.00 0.00 0.00 179.25 179.54 1a91 h ALA 40 N 0.87 0.37 0.00 0.00 0.00 -1.41 -3.31 119.26 115.79 1a91 h ALA 40 Ca 0.01 -0.50 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 1a91 h ALA 40 Cb 1.12 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1a91 h ALA 40 CO 0.11 0.57 -0.97 0.07 0.00 0.00 0.00 179.25 179.03 1a91 h ARG 41 N 0.50 0.50 -7.52 0.00 0.11 -1.67 -3.43 114.38 102.86 1a91 h ARG 41 Ca -0.00 -0.53 -0.46 0.00 0.10 0.00 0.00 59.98 59.09 1a91 h ARG 41 Cb 1.14 0.15 0.12 0.00 1.11 0.00 0.00 29.97 32.49 1a91 h ARG 41 CO 0.12 1.17 0.30 1.14 0.10 0.00 0.00 179.97 182.80 1a91 s GLN 42 N -3.28 1.24 0.63 0.08 -2.07 -1.21 -5.05 119.66 109.99 1a91 s GLN 42 Ca -0.07 -0.58 -0.15 0.00 -1.82 0.00 0.00 55.36 52.74 1a91 s GLN 42 Cb 0.08 -2.05 -0.02 0.00 -1.09 0.00 0.00 33.01 29.94 1a91 s GLN 42 CO 0.88 -1.91 1.07 -1.25 -1.32 0.00 0.00 175.29 172.76 1a91 s PRO 43 N -5.55 3.11 -0.78 9.60 0.04 -1.26 -4.85 135.00 135.30 1a91 s PRO 43 Ca 0.69 1.23 -0.06 0.00 0.04 0.00 0.00 61.00 62.91 1a91 s PRO 43 Cb -0.06 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1a91 s PRO 43 CO 0.49 -0.98 2.85 -0.25 0.04 0.00 0.00 177.00 179.15 1a91 n ASP 44 N -2.28 7.01 0.00 6.66 8.00 -1.26 -4.34 116.55 130.35 1a91 n ASP 44 Ca 0.09 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.63 1a91 n ASP 44 Cb 0.53 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1a91 n ASP 44 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1a91 n LEU 45 N 1.79 0.55 -0.00 0.64 7.94 -1.26 -4.28 117.00 122.39 1a91 n LEU 45 Ca 0.56 0.07 -0.10 0.00 -1.11 0.00 0.00 56.01 55.43 1a91 n LEU 45 Cb 0.49 -0.21 -0.08 0.00 0.53 0.00 0.00 43.42 44.15 1a91 n LEU 45 CO 0.47 -0.21 0.32 0.40 -1.11 0.00 0.00 177.39 177.26 1a91 h ILE 46 N 0.00 0.94 -0.49 1.96 2.04 -1.99 -3.28 117.51 116.69 1a91 h ILE 46 Ca 0.00 -1.43 -0.30 0.00 1.00 0.00 0.00 64.86 64.13 1a91 h ILE 46 Cb 0.00 1.68 -0.12 0.00 -0.74 0.00 0.00 36.82 37.64 1a91 h ILE 46 CO 0.00 0.28 0.24 -0.81 0.00 0.00 0.00 178.15 177.86 1a91 n PRO 47 N -4.81 1.85 -0.07 2.37 -0.04 -1.26 -2.13 135.00 130.91 1a91 n PRO 47 Ca -0.07 -1.44 -0.22 0.00 -0.04 0.00 0.00 63.50 61.73 1a91 n PRO 47 Cb 0.27 -1.70 -0.12 0.00 -0.04 0.00 0.00 33.50 31.91 1a91 n PRO 47 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1a91 n LEU 48 N 0.93 2.13 0.05 1.53 0.00 -1.24 -4.06 117.00 116.35 1a91 n LEU 48 Ca 0.32 0.35 -0.09 0.00 0.00 0.00 0.00 56.01 56.58 1a91 n LEU 48 Cb 0.60 -1.02 0.04 0.00 0.00 0.00 0.00 43.42 43.04 1a91 n LEU 48 CO 0.27 0.48 0.36 0.17 0.00 0.00 0.00 177.39 178.68 1a91 h LEU 49 N -0.63 0.46 -0.15 -1.96 8.10 -1.61 -2.52 115.31 116.99 1a91 h LEU 49 Ca -0.38 -0.30 -0.15 0.00 0.11 0.00 0.00 57.88 57.17 1a91 h LEU 49 Cb 1.56 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 41.65 1a91 h LEU 49 CO -0.11 1.03 -0.48 -0.09 -4.11 0.00 0.00 178.44 174.68 1a91 h ARG 50 N 0.26 0.59 -0.63 0.17 1.12 -1.74 -2.90 114.38 111.26 1a91 h ARG 50 Ca -0.03 -0.44 -0.04 0.00 -1.11 0.00 0.00 59.98 58.37 1a91 h ARG 50 Cb 1.29 0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 31.29 1a91 h ARG 50 CO 0.12 1.06 0.24 1.15 -3.11 0.00 0.00 179.97 179.43 1a91 h THR 51 N 0.24 1.22 0.02 0.20 2.02 -1.70 -2.94 112.91 111.98 1a91 h THR 51 Ca -0.02 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1a91 h THR 51 Cb 1.11 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1a91 h THR 51 CO 0.10 0.29 -0.01 0.06 0.37 0.00 0.00 175.52 176.33 1a91 h GLN 52 N 0.91 -0.03 -0.98 6.66 3.07 -1.47 -2.93 115.11 120.34 1a91 h GLN 52 Ca 0.21 0.00 0.29 0.00 0.09 0.00 0.00 58.65 59.24 1a91 h GLN 52 Cb 0.20 0.01 -0.04 0.00 0.08 0.00 0.00 27.48 27.72 1a91 h GLN 52 CO -0.02 0.29 0.77 0.35 0.09 0.00 0.00 178.83 180.31 1a91 h PHE 53 N -0.35 0.00 0.06 0.06 3.57 -1.39 -0.62 116.94 118.27 1a91 h PHE 53 Ca -0.00 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 1a91 h PHE 53 Cb 0.33 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.09 1a91 h PHE 53 CO 0.03 0.00 -0.98 0.74 -2.23 0.00 0.00 178.31 175.88 1a91 h PHE 54 N 0.00 0.86 0.00 0.41 -1.00 -1.34 -0.89 116.94 114.98 1a91 h PHE 54 Ca 0.47 -0.51 -0.04 0.00 2.81 0.00 0.00 57.97 60.69 1a91 h PHE 54 Cb 2.00 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 41.47 1a91 h PHE 54 CO 0.00 1.36 -0.20 -0.84 -1.61 0.00 0.00 178.31 177.02 1a91 h ILE 55 N 0.13 0.47 -0.04 -0.55 3.07 -1.09 -2.85 117.51 116.64 1a91 h ILE 55 Ca -0.14 -1.10 -0.21 0.00 1.55 0.00 0.00 64.86 64.96 1a91 h ILE 55 Cb 1.67 1.78 -0.00 0.00 -0.27 0.00 0.00 36.82 40.01 1a91 h ILE 55 CO 0.19 0.20 -0.85 0.58 -1.05 0.00 0.00 178.15 177.22 1a91 h VAL 56 N 0.00 1.39 -0.72 0.16 2.07 -1.40 -2.09 116.25 115.66 1a91 h VAL 56 Ca -0.00 -2.32 0.12 0.00 0.82 0.00 0.00 66.70 65.32 1a91 h VAL 56 Cb 0.77 2.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 1a91 h VAL 56 CO 0.03 0.69 0.48 -0.03 0.02 0.00 0.00 177.57 178.76 1a91 h MET 57 N 0.25 0.49 0.00 1.57 1.85 -0.93 -1.69 114.93 116.47 1a91 h MET 57 Ca -0.06 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 1a91 h MET 57 Cb 1.46 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.38 1a91 h MET 57 CO 0.15 0.32 -0.12 0.41 -0.40 0.00 0.00 176.91 177.27 1a91 n GLY 58 N -1.50 -1.57 0.16 1.39 0.00 -0.86 -2.56 105.19 100.26 1a91 n GLY 58 Ca 0.13 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1a91 n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a91 h LEU 59 N 0.00 0.00 -0.43 0.99 3.38 -0.67 -2.89 115.31 115.69 1a91 h LEU 59 Ca 0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1a91 h LEU 59 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1a91 h LEU 59 CO 0.00 0.01 -0.41 0.58 0.09 0.00 0.00 178.44 178.71 1a91 h VAL 60 N 0.00 0.79 0.00 1.22 2.07 -1.20 -3.03 116.25 116.10 1a91 h VAL 60 Ca 0.00 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1a91 h VAL 60 Cb 0.89 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1a91 h VAL 60 CO 0.00 0.40 0.00 -0.67 0.02 0.00 0.00 177.57 177.32 1a91 n ASP 61 N -3.32 0.55 0.14 0.57 2.03 -1.10 -2.80 116.55 112.62 1a91 n ASP 61 Ca 0.01 0.57 0.12 0.00 0.52 0.00 0.00 54.79 56.01 1a91 n ASP 61 Cb 0.62 -0.71 0.08 0.00 -0.72 0.00 0.00 41.12 40.39 1a91 n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a91 h ALA 62 N 2.60 0.69 -0.04 -1.67 0.00 -1.46 -3.39 119.26 115.99 1a91 h ALA 62 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1a91 h ALA 62 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1a91 h ALA 62 CO 0.00 0.00 -0.49 0.82 0.00 0.00 0.00 179.25 179.58 1a91 h ILE 63 N 0.00 0.06 -0.00 0.00 1.08 -1.56 -2.90 117.51 114.20 1a91 h ILE 63 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1a91 h ILE 63 Cb 0.97 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1a91 h ILE 63 CO 0.00 0.00 -0.03 -0.81 -0.69 0.00 0.00 178.15 176.62 1a91 n PRO 64 N -5.45 0.46 -0.01 2.37 -0.04 -1.26 -1.93 135.00 129.14 1a91 n PRO 64 Ca -0.06 -0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.25 1a91 n PRO 64 Cb 0.38 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 1a91 n PRO 64 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1a91 h MET 65 N 0.12 -0.10 0.01 0.54 -1.53 -1.77 -3.11 114.93 109.10 1a91 h MET 65 Ca 0.00 0.01 -0.25 0.00 -3.44 0.00 0.00 59.70 56.02 1a91 h MET 65 Cb 0.31 0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.35 1a91 h MET 65 CO 0.00 0.41 -1.30 0.82 0.14 0.00 0.00 176.91 176.98 1a91 h ILE 66 N -0.93 1.36 0.00 1.77 1.08 -1.31 -1.66 117.51 117.82 1a91 h ILE 66 Ca -0.01 -3.12 -0.19 0.00 -0.39 0.00 0.00 64.86 61.15 1a91 h ILE 66 Cb 0.55 2.69 -0.03 0.00 -3.07 0.00 0.00 36.82 36.96 1a91 h ILE 66 CO 0.02 0.79 -0.92 0.00 -0.69 0.00 0.00 178.15 177.34 1a91 h ALA 67 N 0.96 0.42 0.00 1.87 0.00 -1.57 -1.77 119.26 119.17 1a91 h ALA 67 Ca -0.13 -0.84 -0.23 0.00 0.00 0.00 0.00 54.91 53.72 1a91 h ALA 67 Cb 1.88 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1a91 h ALA 67 CO 0.11 1.15 -1.16 0.28 0.00 0.00 0.00 179.25 179.63 1a91 h VAL 68 N 0.00 1.46 0.00 0.00 2.07 -1.61 -3.00 116.25 115.17 1a91 h VAL 68 Ca -0.01 -3.19 0.00 0.00 0.82 0.00 0.00 66.70 64.32 1a91 h VAL 68 Cb 1.69 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 34.18 1a91 h VAL 68 CO 0.12 0.83 0.00 1.23 0.02 0.00 0.00 177.57 179.77 1a91 h GLY 69 N 3.15 0.00 1.18 2.17 0.00 -1.26 -2.06 103.07 106.26 1a91 h GLY 69 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.05 1a91 h GLY 69 CO 0.11 0.00 -0.65 -2.00 0.00 0.00 0.00 176.54 174.01 1a91 h LEU 70 N 0.00 0.96 -0.04 3.11 6.46 -1.30 -1.88 115.31 122.63 1a91 h LEU 70 Ca 0.00 -0.56 -0.19 0.00 -0.12 0.00 0.00 57.88 57.01 1a91 h LEU 70 Cb 0.72 -0.28 0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1a91 h LEU 70 CO 0.00 1.36 -0.70 1.23 -0.62 0.00 0.00 178.44 179.72 1a91 h GLY 71 N 0.64 0.61 1.40 3.75 0.00 -1.34 -2.20 103.07 105.92 1a91 h GLY 71 Ca -0.01 -0.98 -0.09 0.00 0.00 0.00 0.00 47.33 46.24 1a91 h GLY 71 CO 0.14 0.87 -0.11 1.41 0.00 0.00 0.00 176.54 178.86 1a91 h LEU 72 N 0.13 0.71 0.07 3.11 4.07 -1.49 -2.57 115.31 119.34 1a91 h LEU 72 Ca -0.08 -0.20 -0.25 0.00 0.08 0.00 0.00 57.88 57.43 1a91 h LEU 72 Cb 1.37 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 1a91 h LEU 72 CO 0.14 0.84 -1.14 0.22 -1.08 0.00 0.00 178.44 177.42 1a91 h TYR 73 N 0.66 0.30 -0.01 1.13 3.20 -1.32 -2.78 116.97 118.15 1a91 h TYR 73 Ca 0.11 -0.22 -0.10 0.00 3.14 0.00 0.00 58.73 61.67 1a91 h TYR 73 Cb 0.56 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1a91 h TYR 73 CO 0.03 1.17 -0.46 0.28 -1.64 0.00 0.00 178.16 177.54 1a91 h VAL 74 N 0.05 1.33 -0.03 1.81 2.07 -1.40 -1.71 116.25 118.36 1a91 h VAL 74 Ca -0.08 -1.58 -0.15 0.00 0.82 0.00 0.00 66.70 65.70 1a91 h VAL 74 Cb 1.89 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 1a91 h VAL 74 CO 0.17 0.45 -0.66 -0.03 0.02 0.00 0.00 177.57 177.53 1a91 h MET 75 N 0.02 0.14 -0.02 1.57 1.85 -1.38 -2.28 114.93 114.83 1a91 h MET 75 Ca -0.00 -0.11 -0.13 0.00 -0.61 0.00 0.00 59.70 58.85 1a91 h MET 75 Cb 0.82 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.86 1a91 h MET 75 CO 0.06 0.75 -0.59 0.35 -0.40 0.00 0.00 176.91 177.08 1a91 h PHE 76 N 0.10 0.08 0.00 1.39 3.57 -1.30 -2.86 116.94 117.93 1a91 h PHE 76 Ca -0.01 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1a91 h PHE 76 Cb 1.18 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1a91 h PHE 76 CO 0.01 0.64 -0.20 0.00 -2.23 0.00 0.00 178.31 176.54 1a91 h ALA 77 N 1.35 0.88 0.00 2.41 0.00 -0.78 -3.36 119.26 119.77 1a91 h ALA 77 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a91 h ALA 77 Cb 1.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1a91 h ALA 77 CO 0.08 0.24 -0.34 0.28 0.00 0.00 0.00 179.25 179.52 1a91 n VAL 78 N -3.15 0.85 1.83 0.00 0.31 -0.91 -5.08 118.33 112.17 1a91 n VAL 78 Ca 0.03 0.33 0.15 0.00 -0.01 0.00 0.00 64.34 64.83 1a91 n VAL 78 Cb 0.60 -2.03 0.87 0.00 -0.91 0.00 0.00 33.84 32.37 1a91 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51